2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F798-0428 |
| Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C23 H19 N5 O2 S3 |
| Smiles: | CSc1cccc(c1)NC(CSc1nnc2N(Cc3ccccc3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5685 |
| logD: | 4.5685 |
| logSw: | -4.3181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.48 |
| InChI Key: | UELCKFOCIRZXIQ-UHFFFAOYSA-N |